1E2T

Arylamine N-acetyltransferase (NAT) from Salmonella typhimurium

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Wavelength(s)	0.933, 0.979
Spacegroup name	P 21 21 2
Unit cell lengths	134.530, 222.419, 104.662
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.800
R-factor	0.264
Rwork	0.264
R-free	0.30200
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.810
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	CNS (0.5)
Refinement software	CNS (0.5)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.800
Rmerge	0.059 *
Total number of observations	235995 *
Number of reflections	73897
<I/σ(I)>	8.3
Completeness [%]	94.7
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.9 *	20 *	pH 6.80

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	drop		100 (mM)
4	1	drop	dithiothreitol	3 (mM)
5	1	reservoir	Na/K tartrate	0.8 (M)
6	1	reservoir	MES	0.1 (M)